2-[[(2,5-dichlorophenyl)carbamoylamino]methyl]pentanoic acid

C13H16Cl2N2O3 — CID 65219353

IUPAC2-[[(2,5-dichlorophenyl)carbamoylamino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)Nc1cc(Cl)ccc1Cl)C(=O)O
InChIInChI=1S/C13H16Cl2N2O3/c1-2-3-8(12(18)19)7-16-13(20)17-11-6-9(14)4-5-10(11)15/h4-6,8H,2-3,7H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyWGEJEULPHHWGKE-UHFFFAOYSA-N
MW319.19 g/mol
LogP3.62
Rot. Bonds6

About 2-[[(2,5-dichlorophenyl)carbamoylamino]methyl]pentanoic acid

2-[[(2,5-dichlorophenyl)carbamoylamino]methyl]pentanoic acid (PubChem CID 65219353) has the molecular formula C13H16Cl2N2O3 and a molecular weight of 319.19 g/mol. Its IUPAC name is 2-[[(2,5-dichlorophenyl)carbamoylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(2,5-dichlorophenyl)carbamoylamino]methyl]pentanoic acid
PubChem CID65219353
Molecular FormulaC13H16Cl2N2O3
Molecular Weight319.19 g/mol
Exact Mass318.05
IUPAC Name2-[[(2,5-dichlorophenyl)carbamoylamino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)Nc1cc(Cl)ccc1Cl)C(=O)O
InChIInChI=1S/C13H16Cl2N2O3/c1-2-3-8(12(18)19)7-16-13(20)17-11-6-9(14)4-5-10(11)15/h4-6,8H,2-3,7H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyWGEJEULPHHWGKE-UHFFFAOYSA-N
XLogP3.62
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(5-chloro-2-cyanophenyl)carbamoylamino]methyl]pentanoic acid
CID 65224625
2-[[(2,4-dichlorophenyl)carbamoylamino]methyl]butanoic acid
CID 65219369
2-[[(2,4,6-trichlorophenyl)carbamoylamino]methyl]pentanoic acid
CID 65219582
2-[[(2,5-dichlorophenyl)carbamoylamino]methyl]-3-methylbutanoic acid
CID 65219401
(2S)-2-[(2,5-dichlorophenyl)carbamoylamino]pentanoic acid
CID 107564807
1-(2,5-dichlorophenyl)-3-(2-hydroxybutyl)urea
CID 113492767
1-(2,5-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
CID 102916204
2-[[(5-chloro-2-cyanophenyl)carbamoylamino]methyl]butanoic acid
CID 65224623
2-[(2,5-dichlorophenyl)carbamoylamino]hexanoic acid
CID 43555003
2-[[(2-methylsulfanylphenyl)carbamoylamino]methyl]pentanoic acid
CID 107642350
2-[[(2-iodophenyl)carbamoylamino]methyl]pentanoic acid
CID 65219830
2-(2-carboxypentylamino)-4-chlorobenzoic acid
CID 21251990

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,5-dichlorophenyl)carbamoylamino]methyl]pentanoic acid?
The IUPAC name of 2-[[(2,5-dichlorophenyl)carbamoylamino]methyl]pentanoic acid (CID 65219353) is 2-[[(2,5-dichlorophenyl)carbamoylamino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(2,5-dichlorophenyl)carbamoylamino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(2,5-dichlorophenyl)carbamoylamino]methyl]pentanoic acid is CCCC(CNC(=O)Nc1cc(Cl)ccc1Cl)C(=O)O.
What is the InChIKey of 2-[[(2,5-dichlorophenyl)carbamoylamino]methyl]pentanoic acid?
The InChIKey is WGEJEULPHHWGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3/c1-2-3-8(12(18)19)7-16-13(20)17-11-6-9(14)4-5-10(11)15/h4-6,8H,2-3,7H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[[(2,5-dichlorophenyl)carbamoylamino]methyl]pentanoic acid?
2-[[(2,5-dichlorophenyl)carbamoylamino]methyl]pentanoic acid has a molecular weight of 319.19 g/mol, XLogP of 3.62, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,5-dichlorophenyl)carbamoylamino]methyl]pentanoic acid is sourced from PubChem (CID 65219353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).